1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea

C19H17ClF2N4O3 — CID 71086899

IUPAC1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea
SMILESN#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc(C3CNCCO3)cc2Cl)c1
InChIInChI=1S/C19H17ClF2N4O3/c20-13-8-12(17-10-24-5-6-28-17)2-3-14(13)25-19(27)26-15-7-11(9-23)1-4-16(15)29-18(21)22/h1-4,7-8,17-18,24H,5-6,10H2,(H2,25,26,27)
InChIKeyBZPDPMRSUULMIB-UHFFFAOYSA-N
MW422.82 g/mol
LogP4.12
Rot. Bonds5

About 1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea

1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea (PubChem CID 71086899) has the molecular formula C19H17ClF2N4O3 and a molecular weight of 422.82 g/mol. Its IUPAC name is 1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea
PubChem CID71086899
Molecular FormulaC19H17ClF2N4O3
Molecular Weight422.82 g/mol
Exact Mass422.10
IUPAC Name1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea
SMILESN#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc(C3CNCCO3)cc2Cl)c1
InChIInChI=1S/C19H17ClF2N4O3/c20-13-8-12(17-10-24-5-6-28-17)2-3-14(13)25-19(27)26-15-7-11(9-23)1-4-16(15)29-18(21)22/h1-4,7-8,17-18,24H,5-6,10H2,(H2,25,26,27)
InChIKeyBZPDPMRSUULMIB-UHFFFAOYSA-N
XLogP4.12
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.82
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea?
The IUPAC name of 1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea (CID 71086899) is 1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea is N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc(C3CNCCO3)cc2Cl)c1.
What is the InChIKey of 1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea?
The InChIKey is BZPDPMRSUULMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O3/c20-13-8-12(17-10-24-5-6-28-17)2-3-14(13)25-19(27)26-15-7-11(9-23)1-4-16(15)29-18(21)22/h1-4,7-8,17-18,24H,5-6,10H2,(H2,25,26,27).
What are the key properties of 1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea?
1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea has a molecular weight of 422.82 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-morpholin-2-ylphenyl)-3-[5-cyano-2-(difluoromethoxy)phenyl]urea is sourced from PubChem (CID 71086899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).